SCHEMBL20482519

SCHEMBL20482519

CNC(=O)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.Fc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.91
▸ ATRIP Q8WXE1 20/20 0.91

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17501233 0.95 ATR (1.00) ATRATRIP
SCHEMBL30140512 0.95 ATR (1.00) ATRATRIP
SCHEMBL17501526 0.89 ATR (1.00) ATRATRIP
SCHEMBL18109971 0.86 ATR (1.00) ATRATRIP
SCHEMBL17501507 0.85 ATR (1.00) ATRATRIP
SCHEMBL17501556 0.85 ATR (1.00) ATRATRIP
SCHEMBL17501513 0.84 ATR (1.00) ATRATRIP
SCHEMBL30140501 0.84 ATR (1.00) ATRATRIP
SCHEMBL17501610 0.83 ATR (0.93) ATRATRIP
SCHEMBL17501633 0.82 ATR (1.00) ATRATRIP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661560-A1 COMBINATION OF ATR KINASE INHIBITORS AND PD-1/PD-L1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-06-10 — — EP disclosed
WO-2019025440-A1 COMBINATION OF ATR KINASE INHIBITORS AND PD-1/PD-L1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO disclosed
WO-2018153971-A1 COMBINATION OF ATR KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO disclosed
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